qrunch.chemistry

The chemistry module enables the user to run advanced chemistry problems easily on a real quantum computer.

Modules

builders	All main user entry points for chemistry algorithms and builders.
calculators	Calculators for chemistry problems.
ground_state_problem	Functionality for defining and solving molecular ground state energy problems.
integral_builders	Module with integral builders.
molecular_orbital_calculators	Module containing classes for calculating molecular orbitals.
molecule	Module with all definitions for defining a molecule.
orbital_optimizers	Module containing orbital optimizers.
reaction	Module with all definitions for generating a reaction.
reaction_path_problem	Functionality for defining and solving reaction path problems.
reduced_density_matrices	Module containing reduced density matrix calculators.